8-ethoxy-3-(6-methylimidazo[2,1-b][1,3]benzothiazol-2-yl)chromen-2-one

C21H16N2O3S — CID 4066054

IUPAC8-ethoxy-3-(6-methylimidazo[2,1-b][1,3]benzothiazol-2-yl)chromen-2-one
SMILESCCOc1cccc2cc(-c3cn4c(n3)sc3cc(C)ccc34)c(=O)oc12
InChIInChI=1S/C21H16N2O3S/c1-3-25-17-6-4-5-13-10-14(20(24)26-19(13)17)15-11-23-16-8-7-12(2)9-18(16)27-21(23)22-15/h4-11H,3H2,1-2H3
InChIKeyDIHJYZGZCUFRPV-UHFFFAOYSA-N
MW376.44 g/mol
LogP5.03
Rot. Bonds3

About 8-ethoxy-3-(6-methylimidazo[2,1-b][1,3]benzothiazol-2-yl)chromen-2-one

8-ethoxy-3-(6-methylimidazo[2,1-b][1,3]benzothiazol-2-yl)chromen-2-one (PubChem CID 4066054) has the molecular formula C21H16N2O3S and a molecular weight of 376.44 g/mol. Its IUPAC name is 8-ethoxy-3-(6-methylimidazo[2,1-b][1,3]benzothiazol-2-yl)chromen-2-one.

Molecular Properties

Compound Name8-ethoxy-3-(6-methylimidazo[2,1-b][1,3]benzothiazol-2-yl)chromen-2-one
PubChem CID4066054
Molecular FormulaC21H16N2O3S
Molecular Weight376.44 g/mol
Exact Mass376.09
IUPAC Name8-ethoxy-3-(6-methylimidazo[2,1-b][1,3]benzothiazol-2-yl)chromen-2-one
SMILESCCOc1cccc2cc(-c3cn4c(n3)sc3cc(C)ccc34)c(=O)oc12
InChIInChI=1S/C21H16N2O3S/c1-3-25-17-6-4-5-13-10-14(20(24)26-19(13)17)15-11-23-16-8-7-12(2)9-18(16)27-21(23)22-15/h4-11H,3H2,1-2H3
InChIKeyDIHJYZGZCUFRPV-UHFFFAOYSA-N
XLogP5.03
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.44
LogP ≤ 55.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}

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Related Compounds

8-ethoxy-3-(6-methylimidazo[1,2-a]pyridin-2-yl)chromen-2-one
CID 3240765
2-(2,4-dimethylphenyl)-6-ethoxyimidazo[2,1-b][1,3]benzothiazole
CID 19209821
3-(1,3-benzothiazol-2-yl)-8-ethoxychromen-2-one
CID 934492
3-(2-amino-1,3-thiazol-4-yl)-8-ethoxychromen-2-one
CID 5207452
2-(2-ethoxyphenyl)imidazo[2,1-b][1,3]benzothiazole
CID 19209602
6-ethoxy-2-(2-methoxyphenyl)imidazo[2,1-b][1,3]benzothiazole
CID 19209658
N-[4-(8-ethoxy-2-oxochromen-3-yl)-1,3-thiazol-2-yl]acetamide
CID 4098996
2-(2-oxochromen-3-yl)imidazo[2,1-b][1,3]benzothiazole-6-sulfonamide
CID 71570660
3-(6-methylimidazo[2,1-b][1,3]benzothiazol-2-yl)phenol
CID 12811336
6-bromo-3-(6-fluoroimidazo[2,1-b][1,3]benzothiazol-2-yl)chromen-2-one
CID 1119398
ethyl 8-ethoxy-2-oxochromene-3-carboxylate
CID 4084032
3-acetyl-8-ethoxychromen-2-one
CID 3266617

Frequently Asked Questions

What is the IUPAC name of 8-ethoxy-3-(6-methylimidazo[2,1-b][1,3]benzothiazol-2-yl)chromen-2-one?
The IUPAC name of 8-ethoxy-3-(6-methylimidazo[2,1-b][1,3]benzothiazol-2-yl)chromen-2-one (CID 4066054) is 8-ethoxy-3-(6-methylimidazo[2,1-b][1,3]benzothiazol-2-yl)chromen-2-one.
What is the SMILES notation for 8-ethoxy-3-(6-methylimidazo[2,1-b][1,3]benzothiazol-2-yl)chromen-2-one?
The canonical SMILES for 8-ethoxy-3-(6-methylimidazo[2,1-b][1,3]benzothiazol-2-yl)chromen-2-one is CCOc1cccc2cc(-c3cn4c(n3)sc3cc(C)ccc34)c(=O)oc12.
What is the InChIKey of 8-ethoxy-3-(6-methylimidazo[2,1-b][1,3]benzothiazol-2-yl)chromen-2-one?
The InChIKey is DIHJYZGZCUFRPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16N2O3S/c1-3-25-17-6-4-5-13-10-14(20(24)26-19(13)17)15-11-23-16-8-7-12(2)9-18(16)27-21(23)22-15/h4-11H,3H2,1-2H3.
What are the key properties of 8-ethoxy-3-(6-methylimidazo[2,1-b][1,3]benzothiazol-2-yl)chromen-2-one?
8-ethoxy-3-(6-methylimidazo[2,1-b][1,3]benzothiazol-2-yl)chromen-2-one has a molecular weight of 376.44 g/mol, XLogP of 5.03, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-ethoxy-3-(6-methylimidazo[2,1-b][1,3]benzothiazol-2-yl)chromen-2-one is sourced from PubChem (CID 4066054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).